Crystal Lattice Structures:	Creation Date:  9 Mar 2003
	Last Modified: 21 Oct 2004

The Krennerite (C46) Structure

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• Tunnell and Murata's data is for the compound (Au_0.8,Ag_0.2)Te₂.
• Pearson says that this is a distortion of the trigonal ω structure.
• The arbitrariness in the locations of the atoms is settled by taking z₁ = 0.

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• Prototype: AuTe₂
• Pearson Symbol: oP24
• Strukturbericht Designation: C46
• Space Group: Pma2 (Cartesian and lattice coordinate listings available)
• Number: 28
• Reference: G Tunnell and K J Murata, American Mineralogist 35, 359-384 (1950).
• Primitive Vectors:

  A1	=	a X
  A2	=	b Y
  A3	=	c Z

• Basis Vectors:

  B1	=	z1 A3	=	z1 c Z	(Au-I)	(2a)
  B2	=	½ A1 + z1 A3	=	½ a X + z1 c Z	(Au-I)	(2a)
  B3	=	+ ¼ A1 + y2 A2 + z2 A3	=	+ ¼ a X + y2 b Y + z2 c Z	(Au-II)	(2c)
  B4	=	- ¼ A1 - y2 A2 + z2 A3	=	- ¼ a X - y2 b Y + z2 c Z	(Au-II)	(2c)
  B5	=	+ x3 A1 + y3 A2 + z3 A3	=	+ x3 a X + y3 b Y + z3 c Z	(Au-III)	(4d)
  B6	=	- x3 A1 - y3 A2 + z3 A3	=	- x3 a X - y3 b Y + z3 c Z	(Au-III)	(4d)
  B7	=	+ (½ + x3) A1 - y3 A2 + z3 A3	=	+ (½ + x3) a X - y3 b Y + z3 c Z	(Au-III)	(4d)
  B8	=	+ (½ - x3) A1 + y3 A2 + z3 A3	=	+ (½ - x3) a X + y3 b Y + z3 c Z	(Au-III)	(4d)
  B9	=	+ ¼ A1 + y4 A2 + z4 A3	=	+ ¼ a X + y4 b Y + z4 c Z	(Te-I)	(2c)
  B10	=	- ¼ A1 - y4 A2 + z4 A3	=	- ¼ a X - y4 b Y + z4 c Z	(Te-I)	(2c)
  B11	=	+ ¼ A1 + y5 A2 + z5 A3	=	+ ¼ a X + y5 b Y + z5 c Z	(Te-II)	(2c)
  B12	=	- ¼ A1 - y5 A2 + z5 A3	=	- ¼ a X - y5 b Y + z5 c Z	(Te-II)	(2c)
  B13	=	+ x6 A1 + y6 A2 + z6 A3	=	+ x6 a X + y6 b Y + z6 c Z	(Te-III)	(4d)
  B14	=	- x6 A1 - y6 A2 + z6 A3	=	- x6 a X - y6 b Y + z6 c Z	(Te-III)	(4d)
  B15	=	+ (½ + x6) A1 - y6 A2 + z6 A3	=	+ (½ + x6) a X - y6 b Y + z6 c Z	(Te-III)	(4d)
  B16	=	+ (½ - x6) A1 + y6 A2 + z6 A3	=	+ (½ - x6) a X + y6 b Y + z6 c Z	(Te-III)	(4d)
  B17	=	+ x7 A1 + y7 A2 + z7 A3	=	+ x7 a X + y7 b Y + z7 c Z	(Te-IV)	(4d)
  B18	=	- x7 A1 - y7 A2 + z7 A3	=	- x7 a X - y7 b Y + z7 c Z	(Te-IV)	(4d)
  B19	=	+ (½ + x7) A1 - y7 A2 + z7 A3	=	+ (½ + x7) a X - y7 b Y + z7 c Z	(Te-IV)	(4d)
  B20	=	+ (½ - x7) A1 + y7 A2 + z7 A3	=	+ (½ - x7) a X + y7 b Y + z7 c Z	(Te-IV)	(4d)
  B21	=	+ x8 A1 + y8 A2 + z8 A3	=	+ x8 a X + y8 b Y + z8 c Z	(Te-V)	(4d)
  B22	=	- x8 A1 - y8 A2 + z8 A3	=	- x8 a X - y8 b Y + z8 c Z	(Te-V)	(4d)
  B23	=	+ (½ + x8) A1 - y8 A2 + z8 A3	=	+ (½ + x8) a X - y8 b Y + z8 c Z	(Te-V)	(4d)
  B24	=	+ (½ - x8) A1 + y8 A2 + z8 A3	=	+ (½ - x8) a X + y8 b Y + z8 c Z	(Te-V)	(4d)

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Structures indexed by: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017).